Records |
Author |
Batuk, M.; Batuk, D.; Abakumov, A.M.; Hadermann, J. |
Title |
Pb5Fe3TiO11Cl : a rare example of Ti(IV) in a square pyramidal oxygen coordination |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
215 |
Issue |
|
Pages |
245-252 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new oxychloride Pb5Fe3TiO11Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb5Fe3TiO11Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb5Fe3TiO11Cl is a new n=4 member of the oxychloride perovskite-based homologous series An+1BnO3n−1Cl. The structure is built of truncated Pb3Fe3TiO11 quadruple perovskite blocks separated by CsCl-type Pb2Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O6 octahedra sandwiched between two layers of (Fe,Ti)O5 square pyramids. The Ti4+ cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti4+ in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb5Fe3TiO11Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μB and 3.86(5) μB on the octahedral and square-pyramidal sites, respectively. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000336891300037 |
Publication Date |
2014-04-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
4 |
Open Access |
|
Notes |
Fwo G.0184.09n. |
Approved |
Most recent IF: 2.299; 2014 IF: 2.133 |
Call Number |
UA @ lucian @ c:irua:117066 |
Serial |
3551 |
Permanent link to this record |
|
|
|
Author |
Battle, P.D.; Avdeev, M.; Hadermann, J. |
Title |
The interplay of microstructure and magnetism in La3Ni2SbO9 |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
220 |
Issue |
|
Pages |
163-166 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
La3Ni2SbO9 adopts a perovskite-related structure in which the six-coordinate cation sites are occupied alternately by Ni2+ and a disordered arrangement of Ni2+/Sb5+. A polycrystalline sample has been studied by neutron diffraction in applied magnetic fields of 0 <= H/kOe <= 50 at 5 K. In 0 kOe, weak magnetic Bragg scattering consistent with the adoption of a G-type ferrimagnetic structure is observed; the ordered component of the magnetic moment was found to be 0.89(7) mu(B) per Ni2+ cation. This increased to 1.60(3) mu(B) in a field of 50 kOe. Transmission electron microscopy revealed variations in the Ni:Sb ratio across crystallites of the sample. It is proposed that these composition variations disrupt the magnetic superexchange interactions within the compound, leading to domain formation and a reduced average moment. The application of a magnetic field aligns the magnetisation vectors across the crystal and the average moment measured by neutron diffraction increases accordingly. The role played by variations in the local chemical composition in determining the magnetic properties invites comparison with the behaviour of relaxor ferroelectrics. (C) 2014 Elsevier Inc. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000343346100024 |
Publication Date |
2014-09-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2014 IF: 2.133 |
Call Number |
UA @ lucian @ c:irua:121134 |
Serial |
3588 |
Permanent link to this record |
|
|
|
Author |
Dufour, T.; Minnebo, J.; Abou Rich, S.; Neyts, E.C.; Bogaerts, A.; Reniers, F. |
Title |
Understanding polyethylene surface functionalization by an atmospheric He/O2 plasma through combined experiments and simulations |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
47 |
Issue |
22 |
Pages |
224007 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
High density polyethylene surfaces were exposed to the atmospheric post-discharge of a radiofrequency plasma torch supplied in helium and oxygen. Dynamic water contact angle measurements were performed to evaluate changes in surface hydrophilicity and angle resolved x-ray photoelectron spectroscopy was carried out to identify the functional groups responsible for wettability changes and to study their subsurface depth profiles, up to 9 nm in depth. The reactions leading to the formation of CO, C = O and OC = O groups were simulated by molecular dynamics. These simulations demonstrate that impinging oxygen atoms do not react immediately upon impact but rather remain at or close to the surface before eventually reacting. The simulations also explain the release of gaseous species in the ambient environment as well as the ejection of low molecular weight oxidized materials from the surface. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000336207900008 |
Publication Date |
2014-05-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
Call Number |
UA @ lucian @ c:irua:116919 |
Serial |
3804 |
Permanent link to this record |
|
|
|
Author |
Adam, N.; Leroux, F.; Knapen, D.; Bals, S.; Blust, R. |
Title |
The uptake of ZnO and CuO nanoparticles in the water-flea Daphnia magna under acute exposure scenarios |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Environmental pollution |
Abbreviated Journal |
Environ Pollut |
Volume |
194 |
Issue |
|
Pages |
130-137 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Veterinary physiology and biochemistry |
Abstract |
In this study the uptake of ZnO and CuO nanoparticles by Daphnia magna was tested. Daphnids were exposed during 48 h to acute concentrations of the nanoparticles and corresponding metal salts. The Daphnia zinc and copper concentration was measured and the nanoparticles were localized using electron microscopy. The aggregation and dissolution in the medium was characterized. A fast dissolution of ZnO in the medium was observed, while most CuO formed large aggregates and only a small fraction dissolved. The Daphnia zinc concentration was comparable for the nanoparticles and salts. Contrarily, a much higher Daphnia copper concentration was observed in the CuO exposure, compared to the copper salt. CuO nanoparticles adsorbed onto the carapace and occurred in the gut but did not internalize in the tissues. The combined dissolution and uptake results indicate that the toxicity of both nanoparticle types was caused by metal ions dissolved from the particles in the medium. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000342530800016 |
Publication Date |
2014-08-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0269-7491; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.099 |
Times cited |
45 |
Open Access |
Not_Open_Access |
Notes |
; We would like to thank Valentine Mubiana and Steven Joosen (Sphere, UA) for performing the ICP-OES and ICP-MS measurements and Prof. Dr. Gustaaf Van Tendeloo for making the collaboration between the EMAT and Sphere group possible. Additional thanks go to the European Commission for funding this work through the project ENNSATOX (NMP4-SL-2009-229244). ; |
Approved |
Most recent IF: 5.099; 2014 IF: 4.143 |
Call Number |
UA @ lucian @ c:irua:118326 |
Serial |
3823 |
Permanent link to this record |
|
|
|
Author |
Adelmann, C.; Wen, L.G.; Peter, A.P.; Pourtois, G.; et al. |
Title |
Alternative metals for advanced interconnects |
Type |
P1 Proceeding |
Year |
2014 |
Publication |
2014 Ieee International Interconnect Technology Conference / Advanced Metallization Conference (iitc/amc) |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
173-175 |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We discuss the selection criteria for alternative metals in order to fulfill the requirements necessary for interconnects at half pitch values below 10 nm. The performance of scaled interconnects using transition metal germanides and CoAl alloys as metallization are studied and compared to conventional Cu and W interconnects. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
978-1-4799-5018-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:127033 |
Serial |
91 |
Permanent link to this record |
|
|
|
Author |
Sankaran, K.; Clima, S.; Mees, M.; Adelmann, C.; Tokei, Z.; Pourtois, G. |
Title |
Exploring alternative metals to Cu and W for interconnects : an ab initio Insight |
Type |
P1 Proceeding |
Year |
2014 |
Publication |
2014 Ieee International Interconnect Technology Conference / Advanced Metallization Conference (iitc/amc) |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
193-195 |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The properties of alternative metals to Cu and W for interconnect applications are reviewed based on first-principles simulations and benchmarked in terms of intrinsic bulk resistivity and electromigration. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
978-1-4799-5018-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:127034 |
Serial |
1149 |
Permanent link to this record |
|
|
|
Author |
Van de Put, M.; Thewissen, M.; Magnus, W.; Sorée, B.; Sellier, J.M. |
Title |
Spectral force approach to solve the time-dependent Wigner-Liouville equation |
Type |
P1 Proceeding |
Year |
2014 |
Publication |
2014 International Workshop On Computational Electronics (iwce) |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
978-1-4799-5433-9 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:122221 |
Serial |
3071 |
Permanent link to this record |
|
|
|
Author |
Espinoza Torres, C.; Condó, A.M.; Haberkorn, N.; Zelaya, E.; Schryvers, D.; Guimpel, J.; Lovey, F.C. |
Title |
Structures in textured Cu-Al-Ni shape memory thin films grown by sputtering |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
Volume |
96 |
Issue |
|
Pages |
256-262 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The structure and texture formation in CuAlNi thin films of different thicknesses (1 μm to 5 μm) grown by DC magnetron sputtering without any intentional heating of the substrate are reported. The as-grown films present grains with an average size of 20 nm. The films with thickness of 1 μm have a single metastable phase with a hexagonal structure and are textured with planes (0002) parallel to the plane of the films. It was observed that thicker films present phase coexistence between metastable hexagonal and body centered cubic structures with a gradual increment of the body centered cubic phase fraction. The films with thickness of 5 μm are textured with planes (0002) and View the MathML source101¯0 in the hexagonal structure, whereas in the body centered cubic structure the films are textured with {110} planes parallel to the plane of the films. This fact can be associated with self-heating of the substrate during the growth of the films and with the relative stability of the metastable phases. Free standing films annealed in a second step (1123 K for 1 h) present austenitic phase with L21 structure and sub-micrometric grains textured with {220}L21 planes parallel to the plane of the films. The martensitic transformation temperature was determined from the analysis of resistance against temperature measurements. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
000343346400032 |
Publication Date |
2014-08-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1044-5803; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.714 |
Times cited |
9 |
Open Access |
|
Notes |
(CONICET PIP 11220090100457) and MINCYT-FWO International Exchange Project FW/09/03 is also acknowledged |
Approved |
Most recent IF: 2.714; 2014 IF: 1.845 |
Call Number |
UA @ lucian @ c:irua:118931 |
Serial |
3321 |
Permanent link to this record |
|
|
|
Author |
Ji, G.; Tan, Z.; Shabadi, R.; Li, Z.; Grünewald, W.; Addad, A.; Schryvers, D.; Zhang, D. |
Title |
Triple ion beam cutting of diamond/Al composites for interface characterization |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
Volume |
89 |
Issue |
|
Pages |
132-137 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A novel triple ion beam cutting technique was employed to prepare high-quality surfaces of diamond/Al composites for interfacial characterization, which has been unachievable so far. Near-perfect and artifact-free surfaces were obtained without mechanical pre-polishing. Hence, the as-prepared surfaces are readily available for further study and also, ready to be employed in a focus ion beam system for preferential selection of transmission electron microscopy samples. Dramatically different diamond/Al interface configurations – sub-micrometer Al2O3 particles and clean interfaces were unambiguously revealed. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
000333513400015 |
Publication Date |
2014-01-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1044-5803; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.714 |
Times cited |
9 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 2.714; 2014 IF: 1.845 |
Call Number |
UA @ lucian @ c:irua:113394 |
Serial |
3735 |
Permanent link to this record |
|
|
|
Author |
Verhulst, A.S.; Verreck, D.; Smets, Q.; Kao, K.-H.; Van de Put, M.; Rooyackers, R.; Sorée, B.; Vandooren, A.; De Meyer, K.; Groeseneken, G.; Heyns, M.M.; Mocuta, A.; Collaert, N.; Thean, A.V.-Y. |
Title |
Perspective of tunnel-FET for future low-power technology nodes |
Type |
P1 Proceeding |
Year |
2014 |
Publication |
2014 Ieee International Electron Devices Meeting (iedm) |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
Language |
|
Wos |
|
Publication Date |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
978-1-4799-8000-0 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:144789 |
Serial |
4679 |
Permanent link to this record |
|
|
|
Author |
Jungbauer, M.; Huehn, S.; Egoavil, R.; Tan, H.; Verbeeck, J.; Van Tendeloo, G.; Moshnyaga, V. |
Title |
Atomic layer epitaxy of Ruddlesden-Popper SrO(SrTiO3)n films by means of metalorganic aerosol deposition |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
25 |
Pages |
251603 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report an atomic layer epitaxial growth of Ruddlesden-Popper (RP) thin films of SrO(SrTiO3)(n) (n = infinity, 2, 3, 4) by means of metalorganic aerosol deposition (MAD). The films are grown on SrTiO3(001) substrates by means of a sequential deposition of Sr-O/Ti-O-2 atomic monolayers, monitored in-situ by optical ellipsometry. X-ray diffraction and transmission electron microscopy (TEM) reveal the RP structure with n = 2-4 in accordance with the growth recipe. RP defects, observed by TEM in a good correlation with the in-situ ellipsometry, mainly result from the excess of SrO. Being maximal at the film/substrate interface, the SrO excess rapidly decreases and saturates after 5-6 repetitions of the SrO(SrTiO3)(4) block at the level of 2.4%. This identifies the SrTiO3 substrate surface as a source of RP defects under oxidizing conditions within MAD. Advantages and limitations of MAD as a solution-based and vacuum-free chemical deposition route were discussed in comparison with molecular beam epitaxy. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000346914000007 |
Publication Date |
2014-12-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
32 |
Open Access |
|
Notes |
246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:122830UA @ admin @ c:irua:122830 |
Serial |
172 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.; Jiang, W.; Zhang, Q.Z.; Bogaerts, A. |
Title |
Computational study of plasma sustainability in radio frequency micro-discharges |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
19 |
Pages |
193301-193311 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We apply an implicit particle-in-cell Monte-Carlo (PIC-MC) method to study a radio-frequency argon microdischarge at steady state in the glow discharge limit, in which the microdischarge is sustained by secondary electron emission from the electrodes. The plasma density, electron energy distribution function (EEDF), and electron temperature are calculated in a wide range of operating conditions, including driving voltage, microdischarge gap, and pressure. Also, the effect of gap size scaling (in the range of 50-1000 μm) on the plasma sustaining voltage and peak electron density at atmospheric pressure is examined, which has not been explored before. In our simulations, three different EEDFs, i.e., a so-called three temperature hybrid mode, a two temperature α mode, and a two temperature γ mode distribution, are identified at different gaps and voltages. The maximum sustaining voltage to avoid a transition from the glow mode to an arc is predicted, as well as the minimum sustaining voltage for a steady glow discharge. Our calculations elucidate that secondary electrons play an essential role in sustaining the discharge, and as a result the relationship between breakdown voltage and gap spacing is far away from the Paschen law at atmospheric pressure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000336920200010 |
Publication Date |
2014-05-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:116948 |
Serial |
458 |
Permanent link to this record |
|
|
|
Author |
da Silva, R.M.; Milošević, M.V.; Dominguez, D.; Peeters, F.M.; Albino Aguiar, J. |
Title |
Distinct magnetic signatures of fractional vortex configurations in multiband superconductors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
23 |
Pages |
232601 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Vortices carrying fractions of a flux quantum are predicted to exist in multiband superconductors, where vortex core can split between multiple band-specific components of the superconducting condensate. Using the two-component Ginzburg-Landau model, we examine such vortex configurations in a two-band superconducting slab in parallel magnetic field. The fractional vortices appear due to the band-selective vortex penetration caused by different thresholds for vortex entry within each band-condensate, and stabilize near the edges of the sample. We show that the resulting fractional vortex configurations leave distinct fingerprints in the static measurements of the magnetization, as well as in ac dynamic measurements of the magnetic susceptibility, both of which can be readily used for the detection of these fascinating vortex states in several existing multiband superconductors. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000346266000066 |
Publication Date |
2014-12-09 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
22 |
Open Access |
|
Notes |
; This work was supported by the Brazilian science agencies CAPES (Grant No. PNPD 223038.003145/2011-00), CNPq (Grant Nos. 307552/2012-8, 141911/2012-3, and APV-4 02937/2013-9), and FACEPE (Grant Nos. APQ-0202-1.05/10 and BCT-0278-1.05/ 11), the Research Foundation Flanders (FWO-Vlaanderen), and by the CNPq-FWO cooperation programme (CNPq Grant No. 490297/2009-9). D.D. acknowledges support from CONICET, CNEA, and ANPCyT-PICT2011-1537. The authors thank A. A. Shanenko for extensive discussions on the topic. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:122775 |
Serial |
742 |
Permanent link to this record |
|
|
|
Author |
Singh, S.K.; Neek-Amal, M.; Peeters, F.M. |
Title |
Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
140 |
Issue |
7 |
Pages |
074304-74309 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000332039900020 |
Publication Date |
2014-02-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
30 |
Open Access |
|
Notes |
; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
Call Number |
UA @ lucian @ c:irua:115857 |
Serial |
1002 |
Permanent link to this record |
|
|
|
Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Graphene on boron-nitride : Moiré pattern in the van der Waals energy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
4 |
Pages |
041909-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The spatial dependence of the van der Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The van der Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moire pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak van der Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak van der Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000331209900028 |
Publication Date |
2014-01-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
61 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A was supported by the EU-Marie Curie IIF postdoctoral Fellowship/299855. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:115802 |
Serial |
1374 |
Permanent link to this record |
|
|
|
Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Graphene on hexagonal lattice substrate : stress and pseudo-magnetic field |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
17 |
Pages |
173106 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Moire patterns in the pseudo-magnetic field and in the strain profile of graphene (GE) when put on top of a hexagonal lattice substrate are predicted from elasticity theory. The van der Waals interaction between GE and the substrate induces out-of-plane deformations in graphene which results in a strain field, and consequently in a pseudo-magnetic field. When the misorientation angle is about 0.5 degrees, a three-fold symmetric strain field is realized that results in a pseudo-magnetic field very similar to the one proposed by F. Guinea, M. I. Katsnelson, and A. K. Geim [Nature Phys. 6, 30 (2010)]. Our results show that the periodicity and length of the pseudo-magnetic field can be tuned in GE by changing the misorientation angle and substrate adhesion parameters and a considerable energy gap (23 meV) can be obtained due to out-of-plane deformation of graphene which is in the range of recent experimental measurements (20-30 meV). (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000336142500066 |
Publication Date |
2014-05-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
14 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:117724 |
Serial |
1375 |
Permanent link to this record |
|
|
|
Author |
Zhang, Q.-Z.; Wang, Y.-N.; Bogaerts, A. |
Title |
Heating mode transition in a hybrid direct current/dual-frequency capacitively coupled CF4 discharge |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
22 |
Pages |
223302-223306 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Computer simulations based on the particle-in-cell/Monte Carlo collision method are performed to study the plasma characteristics and especially the transition in electron heating mechanisms in a hybrid direct current (dc)/dual-frequency (DF) capacitively coupled CF 4 discharge. When applying a superposed dc voltage, the plasma density first increases, then decreases, and finally increases again, which is in good agreement with experiments. This trend can be explained by the transition between the four main heating modes, i.e., DF coupling, dc and DF coupling, dc source dominant heating, and secondary electron dominant heating. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000337891800006 |
Publication Date |
2014-06-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:117347 |
Serial |
1414 |
Permanent link to this record |
|
|
|
Author |
Clima, S.; Wouters, D.J.; Adelmann, C.; Schenk, T.; Schroeder, U.; Jurczak, M.; Pourtois, G. |
Title |
Identification of the ferroelectric switching process and dopant-dependent switching properties in orthorhombic HfO2 : a first principles insight |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
9 |
Pages |
092906 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The origin of the ferroelectric polarization switching in orthorhombic HfO2 has been investigated by first principles calculations. The phenomenon can be regarded as being the coordinated displacement of four O ions in the orthorhombic unit cell, which can lead to a saturated polarization as high as 53 mu C/cm(2). We show the correlation between the computed polarization reversal barrier and the experimental coercive fields. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000332729200078 |
Publication Date |
2014-03-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
79 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:116873 |
Serial |
1550 |
Permanent link to this record |
|
|
|
Author |
Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G. |
Title |
Improved source design for p-type tunnel field-effect transistors : towards truly complementary logic |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
24 |
Pages |
243506 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Complementary logic based on tunnel field-effect transistors (TFETs) would drastically reduce power consumption thanks to the TFET's potential to obtain a sub-60 mV/dec subthreshold swing (SS). However, p-type TFETs typically do not meet the performance of n-TFETs for direct bandgap III-V configurations. The p-TFET SS stays well above 60 mV/dec, due to the low density of states in the conduction band. We therefore propose a source configuration in which a highly doped region is maintained only near the tunnel junction. In the remaining part of the source, the hot carriers in the exponential tail of the Fermi-Dirac distribution are blocked by reducing the doping degeneracy, either with a source section with a lower doping concentration or with a heterostructure. We apply this concept to n-p-i-p configurations consisting of In0.53Ga0.47As and an InP-InAs heterostructure. 15-band quantum mechanical simulations predict that the configurations with our source design can obtain sub-60 mV/dec SS, with an on-current comparable to the conventional source design. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000346643600076 |
Publication Date |
2014-12-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
10 |
Open Access |
|
Notes |
; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:122798 |
Serial |
1568 |
Permanent link to this record |
|
|
|
Author |
Smets, Q.; Verreck, D.; Verhulst, A.S.; Rooyackers, R.; Merckling, C.; Van De Put, M.; Simoen, E.; Vandervorst, W.; Collaert, N.; Thean, V.Y.; Sorée, B.; Groeseneken, G.; Heyns, M.M.; |
Title |
InGaAs tunnel diodes for the calibration of semi-classical and quantum mechanical band-to-band tunneling models |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
18 |
Pages |
184503-184509 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In0.53Ga0.47As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In0.53Ga0.47As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000336919400048 |
Publication Date |
2014-05-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
34 |
Open Access |
|
Notes |
; Quentin Smets and Devin Verreck gratefully acknowledge the support of a Ph. D. stipend from IWT-Vlaanderen. This work was supported by imec's industrial affiliation program. The authors thank Kim Baumans, Johan Feyaerts, Johan De Cooman, Alireza Alian, and Jos Moonens for their support in process development; Bastien Douhard and Joris Delmotte for SIMS characterization; Alain Moussa for AFM characterization; Joris Van Laer and Tom Daenen for their support in electrical characterization; Kuo-Hsing Kao, Mehbuba Tanzid, and Ali Pourghaderi for their support in modeling. ; |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:118009 |
Serial |
1667 |
Permanent link to this record |
|
|
|
Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
Title |
The interband optical absorption in silicon quantum wells : application of the 30-band k . p model |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
24 |
Pages |
242103 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The interband optical absorption in Si/SiO2 quantum wells is calculated as function of the well width (W) and the evolution from an indirect to a direct gap material as function of the well width is investigated. In order to compute the electron states in the conduction band, the 30-band k . p model is employed, whereas the 6-band Luttinger-Kohn model is used for the hole states. We found that the effective direct band gap in the quantum well agrees very well with the W-2 scaling result of the single-band model. The interband matrix elements for linear polarized light oscillate with the quantum well width, which agrees qualitatively with a single band calculation. Our theoretical results indicate that the absorption can be maximized by a proper choice of the well width. However, the obtained absorption coefficients are at least an order of magnitude smaller than for a typical direct semiconductor even for a well width of 2 nm. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000337915000033 |
Publication Date |
2014-06-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
1 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:118448 |
Serial |
1689 |
Permanent link to this record |
|
|
|
Author |
Milovanović, S.P.; Masir, M.R.; Peeters, F.M. |
Title |
Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
12 |
Pages |
123507 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000343004400090 |
Publication Date |
2014-09-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
18 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:121119 |
Serial |
1704 |
Permanent link to this record |
|
|
|
Author |
Milovanović, S.P.; Masir, M.R.; Peeters, F.M. |
Title |
Magnetic electron focusing and tuning of the electron current with a pn-junction |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
4 |
Pages |
043719-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Transverse magnetic focusing properties of graphene using a ballistic four terminal structure are investigated. The electric response is obtained using the semiclassical billiard model. The transmission exhibits pronounced peaks as a consequence of skipping orbits at the edge of the structure. When we add a pn-junction between the two probes, snake states along the pn-interface appear. Injected electrons are guided by the pn-interface to one of the leads depending on the value of the applied magnetic field. Oscillations in the resistance are found depending on the amount of particles that end up in each lead. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000331210800066 |
Publication Date |
2014-01-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
21 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:115801 |
Serial |
1866 |
Permanent link to this record |
|
|
|
Author |
Çakir, D.; Peeters, F.M.; Sevik, C. |
Title |
Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers : a comparative study |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
20 |
Pages |
203110 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using density functional theory, we obtain the mechanical and thermal properties of MX2 monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The C-centered phonon frequencies (i.e., A(1), A(2)'', E ', and E ''), relative frequency values of A(1), and E ' modes, and mechanical properties (i.e., elastic constants, Young modulus, and Poisson's ratio) display a strong dependence on the type of metal and chalcogenide atoms. In each chalcogenide (metal) group, transition-metal dichalcogenides (TMDCs) with W (O) atom are found to be much stiffer. Consistent with their stability, the thermal expansion of lattice constants for TMDCs with O (Te) is much slower (faster). Furthermore, in a heterostructure of these materials, the difference of the thermal expansion of lattice constants between the individual components becomes quite tiny over the whole temperature range. The calculated mechanical and thermal properties show that TMDCs are promising materials for heterostructures. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000337140800063 |
Publication Date |
2014-05-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
130 |
Open Access |
|
Notes |
; Cem Sevik acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK-113F096) and Anadolu University (BAP-1306F261 and -1306F281) to this project. We would also like to thank the ULAKBIM High Performance and Grid Computing Center for a generous time allocation for our projects. D. C. was supported by a FWO Pegasus-short Marie Curie Fellowship. Part of this work was supported by the Methusalem foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:118379 |
Serial |
1974 |
Permanent link to this record |
|
|
|
Author |
Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J. |
Title |
Microstructural analysis of 9.7% efficient Cu2ZnSnSe4 thin film solar cells |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
18 |
Pages |
183903 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This work presents a detailed analysis of the microstructure and the composition of our record Cu 2ZnSnSe4 (CZTSe)-CdS-ZnO solar cell with a total area efficiency of 9.7%. The average composition of the CZTSe crystallites is Cu 1.94 Zn 1.12Sn0.95Se3.99. Large crystals of ZnSe secondary phase (up to 400 nm diameter) are observed at the voids between the absorber and the back contact, while smaller ZnSe domains are segregated at the grain boundaries and close to the surface of the CZTSe grains. An underlying layer and some particles of Cu xSe are observed at the Mo-MoSe2-Cu2ZnSnSe4 interface. The free surface of the voids at the back interface is covered by an amorphous layer containing Cu, S, O, and C, while the presence of Cd, Na, and K is also observed in this region. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000345000000086 |
Publication Date |
2014-11-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:121329 |
Serial |
2038 |
Permanent link to this record |
|
|
|
Author |
Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E. |
Title |
Monolayers of MoS2 as an oxidation protective nanocoating material |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
116 |
Issue |
8 |
Pages |
083508 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000342821600017 |
Publication Date |
2014-08-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
52 |
Open Access |
|
Notes |
; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:121101 |
Serial |
2194 |
Permanent link to this record |
|
|
|
Author |
Goncalves, W.C.; Sardella, E.; Becerra, V.F.; Milošević, M.V.; Peeters, F.M. |
Title |
Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d plus s)-wave superconductors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of mathematical physics |
Abbreviated Journal |
J Math Phys |
Volume |
55 |
Issue |
4 |
Pages |
041501 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states. (C) 2014 AIP Publishing LLC. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000336084100001 |
Publication Date |
2014-04-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-2488;1089-7658; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.077 |
Times cited |
6 |
Open Access |
|
Notes |
; We thank the Brazilian Agency FAPESP and Flemish Science Foundation (FSF) (FWO-Vlaanderen) for financial support. M. V. M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 1.077; 2014 IF: 1.243 |
Call Number |
UA @ lucian @ c:irua:117728 |
Serial |
2407 |
Permanent link to this record |
|
|
|
Author |
Bal, K.M.; Neyts, E.C. |
Title |
On the time scale associated with Monte Carlo simulations |
Type |
A1 Journal article |
Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
141 |
Issue |
20 |
Pages |
204104 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000345641400005 |
Publication Date |
2014-11-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
26 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
Call Number |
UA @ lucian @ c:irua:120667 |
Serial |
2459 |
Permanent link to this record |
|
|
|
Author |
Gonnissen, J.; de Backer, A.; den Dekker, A.J.; Martinez, G.T.; Rosenauer, A.; Sijbers, J.; Van Aert, S. |
Title |
Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
6 |
Pages |
063116 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000341188700073 |
Publication Date |
2014-08-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
12 |
Open Access |
|
Notes |
FWO (G.0393.11; G.0064.10; and G.0374.13); European Union Seventh Framework Programme [FP7/2007-2013] under Grant Agreement No. 312483 (ESTEEM2); esteem2_jra2 |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:118333 |
Serial |
2482 |
Permanent link to this record |
|
|
|
Author |
Wen, D.-Q.; Zhang, Q.-Z.; Jiang, W.; Song, U.-H.; Bogaerts, A.; Wang, Y.-N. |
Title |
Phase modulation in pulsed dual-frequency capacitively coupled plasmas |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
23 |
Pages |
233303 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Particle-in-cell/Monte Carlo collision simulations, coupled with an external circuit, are used to investigate the behavior of pulsed dual-frequency (DF) capacitively coupled plasmas (CCPs). It is found that the phase shift θ between the high (or low) frequency source and the pulse modulation has a great influence on the ion density and the ionization rate. By pulsing the high frequency source, the time-averaged ion density shows a maximum when θ = 90∘. The time-averaged ion energy distribution functions (IEDFs) at the driven electrode, however, keep almost unchanged, illustrating the potential of pulsed DF-CCP for independent control of ion density (and flux) and ion energy. A detailed investigation of the temporal evolution of the plasma characteristics indicates that several high frequency harmonics can be excited at the initial stage of a pulse period by tuning the phase shift θ, and this gives rise to strong sheath oscillations, and therefore high ionization rates. For comparison, the pulsing of the low frequency source is also studied. In this case, the ion density changes slightly as a function of time, and the time-averaged ion density shows the same trend as in the HF modulation for different phase shifts θ. Moreover, the time-averaged IEDFs at the driven electrode can be modulated, showing the potential to reduce the maximum ion bombardment energy. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000338106000008 |
Publication Date |
2014-06-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:117415 |
Serial |
2585 |
Permanent link to this record |